SCHEMBL4085368

SCHEMBL4085368

C=C(C)CNCC.CN(C)C1(c2cccs2)CCC(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.42
OPRM1 P35372 8/20 0.42
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 6/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KCNA3 P22001 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4076511 0.82 OPRL1 (0.59) OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL209214 0.80 OPRM1 (0.42) OPRL1OPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL20866603 0.71 OPRL1 (0.59) OPRL1OPRM1SLC6A2KCNA3
SCHEMBL4079446 0.69 OPRL1 (0.48) OPRL1OPRM1
SCHEMBL249645 0.68 LMNA (0.43) OPRL1OPRM1SLC6A2SLC6A4LMNA
SCHEMBL4072298 0.68 OPRM1 (0.52) OPRL1OPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL21766654 0.68 OPRM1 (0.52) OPRL1OPRM1SLC6A2SLC6A4LMNA
SCHEMBL21780743 0.68 OPRM1 (0.46) OPRL1OPRM1SLC6A2SLC6A4LMNA
SCHEMBL209213 0.67 OPRM1 (0.41) OPRL1OPRM1SLC6A2SLC6A4CYP2D6
SCHEMBL5168924 0.67 OPRM1 (0.54) OPRL1OPRM1SLC6A2SLC6A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed